Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50031091   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrase (Human immunodeficiency virus 1)	BDBM50495688 (CHEMBL3116307) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O6P2/c9-6-2-1-5(3-7(6)10)4-8(17(11,12)13)18(14,15)16/h1-3,8H,4H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substra...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50545172 (CHEMBL4644631) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCN3CCN(CCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1 Show InChI InChI=1S/C50H60N16O2/c1-61-15-23-65(24-16-61)35-5-9-39-43(29-35)59-49(57-39)33-3-7-37-41(27-33)55-45(53-37)31-51-47(67)11-13-63-19-21-64(22-20-63)14-12-48(68)52-32-46-54-38-8-4-34(28-42(38)56-46)50-58-40-10-6-36(30-44(40)60-50)66-25-17-62(2)18-26-66/h3-10,27-30H,11-26,31-32H2,1-2H3,(H,51,67)(H,52,68)(H,53,55)(H,54,56)(H,57,59)(H,58,60)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115378 BindingDB Entry DOI: 10.7270/Q2125X7T
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495689 (CHEMBL3116306) Show SMILES NC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11Cl2NO6P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3H,4,11H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase E92Q mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pro...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495689 (CHEMBL3116306) Show SMILES NC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11Cl2NO6P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3H,4,11H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase N155H mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495689 (CHEMBL3116306) Show SMILES NC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11Cl2NO6P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3H,4,11H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reac...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495689 (CHEMBL3116306) Show SMILES NC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11Cl2NO6P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3H,4,11H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495689 (CHEMBL3116306) Show SMILES NC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11Cl2NO6P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3H,4,11H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substra...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495689 (CHEMBL3116306) Show SMILES NC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11Cl2NO6P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3H,4,11H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase E138K mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495690 (CHEMBL3116305) Show SMILES OC(Cc1ccc(Cl)cc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11ClO7P2/c9-7-3-1-6(2-4-7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substra...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50545173 (CHEMBL4645067) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCN3CCN(CCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1 Show InChI InChI=1S/C52H64N16O2/c1-63-17-25-67(26-18-63)37-9-13-41-45(31-37)61-51(59-41)35-7-11-39-43(29-35)57-47(55-39)33-53-49(69)5-3-15-65-21-23-66(24-22-65)16-4-6-50(70)54-34-48-56-40-12-8-36(30-44(40)58-48)52-60-42-14-10-38(32-46(42)62-52)68-27-19-64(2)20-28-68/h7-14,29-32H,3-6,15-28,33-34H2,1-2H3,(H,53,69)(H,54,70)(H,55,57)(H,56,58)(H,59,61)(H,60,62)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115378 BindingDB Entry DOI: 10.7270/Q2125X7T
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50545171 (CHEMBL4633363) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CN3CCN(CC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1 Show InChI InChI=1S/C48H56N16O2/c1-59-11-19-63(20-12-59)33-5-9-37-41(25-33)57-47(55-37)31-3-7-35-39(23-31)53-43(51-35)27-49-45(65)29-61-15-17-62(18-16-61)30-46(66)50-28-44-52-36-8-4-32(24-40(36)54-44)48-56-38-10-6-34(26-42(38)58-48)64-21-13-60(2)14-22-64/h3-10,23-26H,11-22,27-30H2,1-2H3,(H,49,65)(H,50,66)(H,51,53)(H,52,54)(H,55,57)(H,56,58)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115378 BindingDB Entry DOI: 10.7270/Q2125X7T
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495691 (CHEMBL3116308) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C15H14Cl4O6P2/c16-11-3-1-9(5-13(11)18)7-15(26(20,21)22,27(23,24)25)8-10-2-4-12(17)14(19)6-10/h1-6H,7-8H2,(H2,20,21,22)(H2,23,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B-2/U5A DNA as substrate assessed as inhibition of strand transfer ...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495691 (CHEMBL3116308) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C15H14Cl4O6P2/c16-11-3-1-9(5-13(11)18)7-15(26(20,21)22,27(23,24)25)8-10-2-4-12(17)14(19)6-10/h1-6H,7-8H2,(H2,20,21,22)(H2,23,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reac...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495690 (CHEMBL3116305) Show SMILES OC(Cc1ccc(Cl)cc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11ClO7P2/c9-7-3-1-6(2-4-7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reac...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495688 (CHEMBL3116307) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O6P2/c9-6-2-1-5(3-7(6)10)4-8(17(11,12)13)18(14,15)16/h1-3,8H,4H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reac...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495688 (CHEMBL3116307) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O6P2/c9-6-2-1-5(3-7(6)10)4-8(17(11,12)13)18(14,15)16/h1-3,8H,4H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B-2/U5A DNA as substrate assessed as inhibition of strand transfer ...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-processing reac...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase N155H mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase E92Q mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pro...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase E138K mutant expressed in Escherichia coli using [32P]-labeled U5B/U5A DNA as substrate assessed as inhibition of 3'-pr...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495690 (CHEMBL3116305) Show SMILES OC(Cc1ccc(Cl)cc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11ClO7P2/c9-7-3-1-6(2-4-7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B-2/U5A DNA as substrate assessed as inhibition of strand transfer ...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase expressed in Escherichia coli using [32P]-labeled U5B-2/U5A DNA as substrate assessed as inhibition of strand transfer ...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495690 (CHEMBL3116305) Show SMILES OC(Cc1ccc(Cl)cc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11ClO7P2/c9-7-3-1-6(2-4-7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mg2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495691 (CHEMBL3116308) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C15H14Cl4O6P2/c16-11-3-1-9(5-13(11)18)7-15(26(20,21)22,27(23,24)25)8-10-2-4-12(17)14(19)6-10/h1-6H,7-8H2,(H2,20,21,22)(H2,23,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mg2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495688 (CHEMBL3116307) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O6P2/c9-6-2-1-5(3-7(6)10)4-8(17(11,12)13)18(14,15)16/h1-3,8H,4H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mg2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mg2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495688 (CHEMBL3116307) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O6P2/c9-6-2-1-5(3-7(6)10)4-8(17(11,12)13)18(14,15)16/h1-3,8H,4H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substra...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495690 (CHEMBL3116305) Show SMILES OC(Cc1ccc(Cl)cc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11ClO7P2/c9-7-3-1-6(2-4-7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substra...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of HIV-1 GST-tagged integrase-His6-tagged LEDGF complex expressed in Escherichia coli BL21(DE3) using [32P]-labeled U5B/U5A DNA as substra...				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495689 (CHEMBL3116306) Show SMILES NC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11Cl2NO6P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3H,4,11H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mg2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495691 (CHEMBL3116308) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C15H14Cl4O6P2/c16-11-3-1-9(5-13(11)18)7-15(26(20,21)22,27(23,24)25)8-10-2-4-12(17)14(19)6-10/h1-6H,7-8H2,(H2,20,21,22)(H2,23,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mn2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495688 (CHEMBL3116307) Show SMILES OP(O)(=O)C(Cc1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O6P2/c9-6-2-1-5(3-7(6)10)4-8(17(11,12)13)18(14,15)16/h1-3,8H,4H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mn2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495690 (CHEMBL3116305) Show SMILES OC(Cc1ccc(Cl)cc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11ClO7P2/c9-7-3-1-6(2-4-7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H2,11,12,13)(H2,14,15,16)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mn2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50240448 (2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...) Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mn2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50495689 (CHEMBL3116306) Show SMILES NC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C8H11Cl2NO6P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3H,4,11H2,(H2,12,13,14)(H2,15,16,17)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Displacement of [32P]-labeled U5B/U5A DNA from HIV-1 integrase expressed in Escherichia coli in presence of Mn2+				Eur J Med Chem 73: 73-82 (2014) Article DOI: 10.1016/j.ejmech.2013.11.028 BindingDB Entry DOI: 10.7270/Q24M97H3
					More data for this Ligand-Target Pair

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